Does the molecular structure of CaH2affect the dihydrogen...

Science China Chemistry 2012 / 02 Vol. 55; Iss. 2

Does the molecular structure of CaH2affect the dihydrogen bonding in CaH2… HY (Y = CH3, C2H3, C2H, CN, and NC) complexes? A quantum chemistry study using MP2 and B3LYP methods

Lu Feng, FuQuan Bai, Yang Wu, HongXing Zhang
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Volume:
55
Language:
english
Pages:
8
DOI:
10.1007/s11426-011-4391-y
Date:
February, 2012
File:
PDF, 494 KB
english, 2012
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